N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,4-diethoxy-benzamide

Systemtic Name: N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,4-diethoxy-benzamide Openeye Name: N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,4-diethoxy-benzamide CAS Name: N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,4-diethoxybenzamide IUPAC Name: N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,4-diethoxybenzamide Traditional Name: N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]-3,4-diethoxy-benzamide Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)Cl)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)Cl)OCC

InChI

InChI=1S/C20H20ClN3O3S/c1-3-26-16-10-7-14(12-17(16)27-4-2)19(25)22-20-24-23-18(28-20)11-13-5-8-15(21)9-6-13/h5-10,12H,3-4,11H2,1-2H3,(H,22,24,25)